diff --git a/XSpectra/xspectra.f90 b/XSpectra/xspectra.f90 index 95e1e48d7..c27a1056a 100644 --- a/XSpectra/xspectra.f90 +++ b/XSpectra/xspectra.f90 @@ -1,5 +1,5 @@ ! -! Copyright (C) 2001-2006 Quantum-ESPRESSO group +! Copyright (C) 2001-2009 Quantum-ESPRESSO group ! This file is distributed under the terms of the ! GNU General Public License. See the file `License' ! in the root directory of the present distribution, @@ -156,14 +156,15 @@ PROGRAM X_Spectra ! - ! Set default values for namelist: (fforgot what is kedge) + ! Set default values for namelist: ! calculation='xanes' prefix='' verbosity='low' x_save_file='xanes.sav' - outdir='./' + CALL get_env( 'ESPRESSO_TMPDIR', outdir ) + IF ( TRIM( outdir ) == ' ' ) outdir = './' xnepoint=100 xniter=50 xcheck_conv=5 @@ -1025,7 +1026,7 @@ SUBROUTINE xanes_dipole(a,b,ncalcv,xnorm,core_wfn,paw_iltonhb,terminator,verbosi WRITE(stdout,*) WRITE(stdout,*) 'Starting k-point : ', ik - WRITE( stdout,'(" total cpu time spent up to now is ",F9.2," secs")'), timenow + WRITE( stdout,'(" total cpu time spent up to now is ",F9.2," secs")') timenow current_k=ik @@ -1425,7 +1426,7 @@ SUBROUTINE xanes_quadrupole(a,b,ncalcv,xnorm,core_wfn,paw_iltonhb,terminator,ver WRITE(stdout,*) WRITE(stdout,*) 'Starting k-point : ', ik - WRITE( stdout,'(" total cpu time spent up to now is ",F9.2," secs")'), timenow + WRITE( stdout,'(" total cpu time spent up to now is ",F9.2," secs")') timenow current_k=ik IF(lsda) current_spin=isk(ik)